1-[1-benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3,4-diethoxyphenyl)methyl]pipecolinic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O)OCC

InChI

InChI=1S/C25H29NO4S/c1-3-29-20-13-12-18(15-21(20)30-4-2)24(26-14-8-7-10-19(26)25(27)28)23-16-17-9-5-6-11-22(17)31-23/h5-6,9,11-13,15-16,19,24H,3-4,7-8,10,14H2,1-2H3,(H,27,28)